⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL27342935 | 0.98 | — | — | |
| SCHEMBL1286476 | 0.88 | — | — | |
| Hypochlorous Acid SCHEMBL28319310 | 0.84 | — | — | |
| SCHEMBL27978543 | 0.84 | FAAH (0.31) | — | |
| Sulfuric Acid SCHEMBL29551565 | 0.84 | — | — | |
| SCHEMBL27489989 | 0.82 | FAAH (0.33) | — | |
| Sulfuric Acid SCHEMBL6419257 | 0.79 | — | — | |
| SCHEMBL5464607 | 0.77 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL27751563 | 0.76 | — | — | |
| SCHEMBL9949840 | 0.72 | MAPT (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105503625-A | Method for synthesizing diethanolamine acrylate compounds | CHINA NAT OFFSHORE OIL CORP | 2016-04-20 | — | — | CN | disclosed |